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You are searching for "CFAMM00071719" in compound.
Total 1 results found.
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.
| CFAM Mol ID | CFAMM00071719 |
| Family | CFFAD515 HIV-1 protease Inhibitor Lopinavir Family |
| Superfamily | CFSAD447 HIV-1 protease Inhibitor Lopinavir Superfamily |
| Class | CFCAD412 Class 412 |
| External ID | CHEMBL8694 |
External Source | CHEMBL |
| PubChem CID |
44265629 |
Functional Category |
Bioactive |
| Molecule Name |
(3R,4R)-3-hydroxy-6-methyl-N-[(2S)-2-methylbutyl]-4-[[2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]-2-phenoxyacetyl]amino]heptanamide |
| IUPAC Name |
(3R,4R)-3-hydroxy-6-methyl-N-[(2S)-2-methylbutyl]-4-[[2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]-2-phenoxyacetyl]amino]heptanamide |
| Synonyms |
CHEBI:104667 |
| InChi |
InChI=1S/C45H53N3O5/c1-5-31(4)29-46-42(50)28-41(49)40(25-30(2)3)47-44(52)45(53-37-21-7-6-8-22-37)48-43(51)36(26-34-19-13-17-32-15-9-11-23-38(32)34)27-35-20-14-18-33-16-10-12-24-39(33)35/h6-24,30-31,36,40-41,45,49H,5,25-29H2,1-4H3,(H,46,50)(H,47,52)(H,48,51)/t31-,40+,41+,45?/m0/s1 |
| InChiKey |
VWHIRCUCQBJMML-QYYLXOGGSA-N |
| Formula | C45H53N3O5 |
Molecular Weight | 715.92 |
| Cross Link | CHEMBL8694 |
| Structure |
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Statistics of CFAM Database |
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
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How to cite our database |
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C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering.
Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
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Last update by |
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2014.08.29
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Deputy
Director of Center for Computational Science and Engineering
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National University of Singapore, Singapore
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